3-[(E)-2-trimethylstannylethenyl]azetidine-1-carboxylic acid

C9H17NO2Sn — CID 89159206

IUPAC3-[(E)-2-trimethylstannylethenyl]azetidine-1-carboxylic acid
SMILESC[Sn](C)(C)/C=C/C1CN(C(=O)O)C1
InChIInChI=1S/C6H8NO2.3CH3.Sn/c1-2-5-3-7(4-5)6(8)9;;;;/h1-2,5H,3-4H2,(H,8,9);3*1H3;
InChIKeyLQCDTBFPGLXQKX-UHFFFAOYSA-N
MW289.95 g/mol
LogP2.03
Rot. Bonds2

About 3-[(E)-2-trimethylstannylethenyl]azetidine-1-carboxylic acid

3-[(E)-2-trimethylstannylethenyl]azetidine-1-carboxylic acid (PubChem CID 89159206) has the molecular formula C9H17NO2Sn and a molecular weight of 289.95 g/mol. Its IUPAC name is 3-[(E)-2-trimethylstannylethenyl]azetidine-1-carboxylic acid.

Molecular Properties

Compound Name3-[(E)-2-trimethylstannylethenyl]azetidine-1-carboxylic acid
PubChem CID89159206
Molecular FormulaC9H17NO2Sn
Molecular Weight289.95 g/mol
Exact Mass291.03
IUPAC Name3-[(E)-2-trimethylstannylethenyl]azetidine-1-carboxylic acid
SMILESC[Sn](C)(C)/C=C/C1CN(C(=O)O)C1
InChIInChI=1S/C6H8NO2.3CH3.Sn/c1-2-5-3-7(4-5)6(8)9;;;;/h1-2,5H,3-4H2,(H,8,9);3*1H3;
InChIKeyLQCDTBFPGLXQKX-UHFFFAOYSA-N
XLogP2.03
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.95
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-[(E)-2-trimethylstannylethenyl]azetidine-1-carboxylic acid?
The IUPAC name of 3-[(E)-2-trimethylstannylethenyl]azetidine-1-carboxylic acid (CID 89159206) is 3-[(E)-2-trimethylstannylethenyl]azetidine-1-carboxylic acid.
What is the SMILES notation for 3-[(E)-2-trimethylstannylethenyl]azetidine-1-carboxylic acid?
The canonical SMILES for 3-[(E)-2-trimethylstannylethenyl]azetidine-1-carboxylic acid is C[Sn](C)(C)/C=C/C1CN(C(=O)O)C1.
What is the InChIKey of 3-[(E)-2-trimethylstannylethenyl]azetidine-1-carboxylic acid?
The InChIKey is LQCDTBFPGLXQKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8NO2.3CH3.Sn/c1-2-5-3-7(4-5)6(8)9;;;;/h1-2,5H,3-4H2,(H,8,9);3*1H3;.
What are the key properties of 3-[(E)-2-trimethylstannylethenyl]azetidine-1-carboxylic acid?
3-[(E)-2-trimethylstannylethenyl]azetidine-1-carboxylic acid has a molecular weight of 289.95 g/mol, XLogP of 2.03, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-2-trimethylstannylethenyl]azetidine-1-carboxylic acid is sourced from PubChem (CID 89159206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).